Molecule ID: mol2863

SMILES: COc1ccc(SC)c2c1C[C@@H]1[C@@H](C2)OCCN1C

InChI: InChI=1S/C15H21NO2S/c1-16-6-7-18-14-9-11-10(8-12(14)16)13(17-2)4-5-15(11)19-3/h4-5,12,14H,6-9H2,1-3H3/t12-,14-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.25 Novartis 1 » 0
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Charge States and Microspecies Visualization